Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | ESR1 | P03372 | 4/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.42 |
| ▸ | NOS3 | P29474 | 2/20 | 0.35 |
| ▸ | NOS1 | P29475 | 2/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA4 | P22748 | 2/20 | 0.33 |
| ▸ | CA9 | Q16790 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4973930 | 0.82 | TDP1 (0.45) | TDP1CYP3A4ESR1ESR2NOS3 | |
| SCHEMBL7113981 | 0.82 | TDP1 (0.45) | TDP1CYP3A4ESR1ESR2NOS3 | |
| SCHEMBL6156002 | 0.81 | TDP1 (0.50) | TDP1CYP3A4ESR1ESR2CES2 | |
| SCHEMBL5034105 | 0.78 | CES2 (0.42) | TDP1CYP3A4ESR1ESR2CES2 | |
| SCHEMBL7939706 | 0.78 | CYP3A4 (0.41) | TDP1CYP3A4ESR1ESR2NOS3 | |
| SCHEMBL6935690 | 0.72 | ESR1 (0.42) | TDP1CYP3A4ESR1ESR2CES2 | |
| SCHEMBL10975183 | 0.72 | CYP3A4 (0.36) | TDP1CYP3A4ESR1ESR2CES2 | |
| SCHEMBL15364425 | 0.71 | ALDH1A1 (0.47) | TDP1CYP3A4ESR1TSHRGLA | |
| SCHEMBL11259675 | 0.71 | AKR1C3 (0.38) | TDP1CYP3A4ESR1ESR2CES2 | |
| SCHEMBL11259672 | 0.71 | AKR1C3 (0.38) | TDP1CYP3A4ESR1ESR2CES2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0356518-A1 | METHOD OF OBTAINING I-BUTENE AND/OR HEXENES | INSTITUT KHIMICHESKOI FIZIKI AKADEMII NAUK SSSR (SU) | 1990-03-07 | — | — | EP | disclosed |